4-(4-methyl-3-propan-2-ylsulfanyl-phenyl)carbonylsulfanylbenzoic acid

Systemtic Name: 4-(4-methyl-3-propan-2-ylsulfanyl-phenyl)carbonylsulfanylbenzoic acid Openeye Name: 4-(3-isopropylsulfanyl-4-methyl-benzoyl)sulfanylbenzoic acid CAS Name: 4-[[[4-methyl-3-(propan-2-ylthio)phenyl]-oxomethyl]thio]benzoic acid IUPAC Name: 4-(4-methyl-3-propan-2-ylsulfanylbenzoyl)sulfanylbenzoic acid Traditional Name: 4-[[3-(isopropylthio)-4-methyl-benzoyl]thio]benzoic acid Formula: C18H18O3S2 MolecularWeight: 346.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)SC2=CC=C(C=C2)C(=O)O)SC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)SC2=CC=C(C=C2)C(=O)O)SC(C)C

InChI

InChI=1S/C18H18O3S2/c1-11(2)22-16-10-14(5-4-12(16)3)18(21)23-15-8-6-13(7-9-15)17(19)20/h4-11H,1-3H3,(H,19,20)